CID 47002902

[1-(5-nitropyridin-2-yl)piperidin-4-yl]methanol

Structural Information

Molecular Formula
C11H15N3O3
SMILES
C1CN(CCC1CO)C2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O3/c15-8-9-3-5-13(6-4-9)11-2-1-10(7-12-11)14(16)17/h1-2,7,9,15H,3-6,8H2
InChIKey
LJSPBMQDDUPONQ-UHFFFAOYSA-N
Compound name
[1-(5-nitropyridin-2-yl)piperidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

237.11134 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11862 150.7
[M+Na]+ 260.10056 163.3
[M+NH4]+ 255.14516 157.8
[M+K]+ 276.07450 160.1
[M-H]- 236.10406 154.2
[M+Na-2H]- 258.08601 156.9
[M]+ 237.11079 153.1
[M]- 237.11189 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe